2-(5-chloro-2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine

C28H24ClFN6 — CID 53345068

IUPAC2-(5-chloro-2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine
SMILESCN1CCC(n2cc(-c3cncc(-c4cc(-c5cc(Cl)ccc5F)nc5ncccc45)c3)cn2)CC1
InChIInChI=1S/C28H24ClFN6/c1-35-9-6-22(7-10-35)36-17-20(16-33-36)18-11-19(15-31-14-18)24-13-27(25-12-21(29)4-5-26(25)30)34-28-23(24)3-2-8-32-28/h2-5,8,11-17,22H,6-7,9-10H2,1H3
InChIKeyWREBCDPXVSGCMX-UHFFFAOYSA-N
MW498.99 g/mol
LogP6.28
Rot. Bonds4

About 2-(5-chloro-2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine

2-(5-chloro-2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine (PubChem CID 53345068) has the molecular formula C28H24ClFN6 and a molecular weight of 498.99 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine
PubChem CID53345068
Molecular FormulaC28H24ClFN6
Molecular Weight498.99 g/mol
Exact Mass498.17
IUPAC Name2-(5-chloro-2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine
SMILESCN1CCC(n2cc(-c3cncc(-c4cc(-c5cc(Cl)ccc5F)nc5ncccc45)c3)cn2)CC1
InChIInChI=1S/C28H24ClFN6/c1-35-9-6-22(7-10-35)36-17-20(16-33-36)18-11-19(15-31-14-18)24-13-27(25-12-21(29)4-5-26(25)30)34-28-23(24)3-2-8-32-28/h2-5,8,11-17,22H,6-7,9-10H2,1H3
InChIKeyWREBCDPXVSGCMX-UHFFFAOYSA-N
XLogP6.28
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.99
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine (CID 53345068) is 2-(5-chloro-2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine is CN1CCC(n2cc(-c3cncc(-c4cc(-c5cc(Cl)ccc5F)nc5ncccc45)c3)cn2)CC1.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine?
The InChIKey is WREBCDPXVSGCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24ClFN6/c1-35-9-6-22(7-10-35)36-17-20(16-33-36)18-11-19(15-31-14-18)24-13-27(25-12-21(29)4-5-26(25)30)34-28-23(24)3-2-8-32-28/h2-5,8,11-17,22H,6-7,9-10H2,1H3.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine?
2-(5-chloro-2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine has a molecular weight of 498.99 g/mol, XLogP of 6.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine is sourced from PubChem (CID 53345068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).